8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-piperonylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C25H29N2O5+ MolecularWeight: 437.50816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H28N2O5/c1-3-18-12-19-16(2)10-23(28)32-25(19)20(24(18)29)14-27-8-6-26(7-9-27)13-17-4-5-21-22(11-17)31-15-30-21/h4-5,10-12,29H,3,6-9,13-15H2,1-2H3/p+1